SCHEMBL6880583

SCHEMBL6880583

Cc1cc(N(C)C)nc(N[C@H]2CC[C@@H](NC(=O)NC(C)(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)n1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.74
ADRA2A P08913 5/20 0.74
HRH1 P35367 3/20 0.74
ADRA1A P35348 3/20 0.74
HTR2B P41595 3/20 0.54
CNR1 P21554 1/20 0.53
KCNH2 Q12809 1/20 0.53
AURKB Q96GD4 1/20 0.53
HTR1A P08908 1/20 0.41
HTT P42858 1/20 0.37
SLC2A1 P11166 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6880589 1.00 MCHR1 (0.74) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6875887 0.88 MCHR1 (0.68) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6875892 0.88 MCHR1 (0.68) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6461590 0.85 MCHR1 (0.72) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6459205 0.85 MCHR1 (0.72) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6460412 0.85 MCHR1 (1.00) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6460407 0.85 MCHR1 (1.00) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6874582 0.84 MCHR1 (0.74) MCHR1ADRA2AHRH1ADRA1AHTR2B
Hydrochloric Acid SCHEMBL6462406 0.84 MCHR1 (0.98) MCHR1ADRA2AHRH1ADRA1AHTR2B
SCHEMBL6458496 0.83 MCHR1 (0.75) MCHR1ADRA2AHRH1ADRA1AHTR2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed